Desmethyl Ketoprofen Methyl Ester - ≥98% , CAS No.24021-44-1

CAS: 24021-44-1 Cat. No.: D342680 Fórmula: C₁₆H₁₄O₃ Peso molecular: 254.28

GRADE & PURITY ≥98%

Synonyms

J-015316 | methyl m-benzoyl-phenyl-acetate | SCHEMBL6115593 | AKOS030240613 | DTXSID70442832 | QTXILVCSTXQKLF-UHFFFAOYSA-N | Methyl (3-Benzoylphenyl)acetate | Methyl 2-(3-benzoylphenyl)acetate | FT-0666142 | Desmethyl Ketoprofen Methyl Ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

J-015316 | methyl m-benzoyl-phenyl-acetate | SCHEMBL6115593 | AKOS030240613 | DTXSID70442832 | QTXILVCSTXQKLF-UHFFFAOYSA-N | Methyl (3-Benzoylphenyl)acetate | Methyl 2-(3-benzoylphenyl)acetate | FT-0666142 | Desmethyl Ketoprofen Methyl Ester

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488196757

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196757

Sorrisos canónicos

COC(=O)CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2

IUPAC Name

methyl 2-(3-benzoylphenyl)acetate

InChIKey

QTXILVCSTXQKLF-UHFFFAOYSA-N

INCHI

1S/C16H14O3/c1-19-15(17)11-12-6-5-9-14(10-12)16(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3

SMILES isoméricas

COC(=O)CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2

Peso molecular

254.28

Reaxy-Rn

3056547

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3056547&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Soluble in Dichloromethane and Ethyl Acetate
• Peso molecular: 254.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094 Da
• Monoisotopic Mass: 254.094 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 318.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1